0 B9R1.35 CC(=O)C1=CC(Br)=NO1 AT19699 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 CC(=O)C1=CN(C)C=N1 AT21668 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 CC(=O)C1=NC(C)=CN1 I10088 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 CC1=CC(C(=N)N)=NO1 E72487 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CC1=CC(C(C)C)=NN1 89085 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.35 CC1=CC(C(N)=O)=NN1 N12273 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.35 CC1=CC([C@H](C)O)=NO1 AT19830 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.35 CC1=CC([C@H](C)O)=NO1 AT19832 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.35 CC1=NC(C(=O)O)=NO1 A10653 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.35 CC1=NC(C(N)=O)=NO1 E72463 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.35 CC1=NN=C([C@H](C)O)O1 AT18796 [0,0,0,0,0,0|2,0,2]=4 11 B9R1.35 CC1=NN=C([C@H](C)O)O1 AT18797 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.35 CC1=NN=C([C@H](C)O)O1 AT18798 [0,0,0,0,0,0|2,0,2]=4 13 B9R1.35 CC1=NOC(C(=O)O)=N1 72017 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.35 CC1=NOC(C(=O)[O-])=N1 D87501 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.35 CC1=NOC(C(N)=O)=C1 C11163 [0,0,0,0,0,0|2,0,1]=3 16 B9R1.35 CC1=NO[C@H](C(=O)O)C1 H10561 [0,0,0,0,0,0|1,0,3]=4 17 B9R1.35 CC1=NSC(C(=O)O)=C1 AT21155 [0,0,0,0,0,0|1,0,1]=2 18 B9R1.35 CN1C=C(C(=O)Cl)C=N1 AT16091 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.35 CN1C=C(C(=O)O)N=N1 S10573 [0,0,0,0,0,0|1,0,1]=2 20 B9R1.35 CN1C=NC(C(N)=O)=C1 24458 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.35 CN1CC(C(=O)O)=CO1 F12190 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.35 NC(=O)C1=CC(Br)=CS1 C76680 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.35 NC(=O)C1=CC(O)=NO1 C72596 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.35 NC(=O)C1=NN=C(Br)S1 AT19525 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.35 NC(=O)N1C=C(Br)C=N1 W19306 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.35 NC1=CN=C(C(=O)O)S1 38504 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.35 NC1=CN=C(C(=O)O)S1 70896 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.35 NC1=CSC(C(=O)O)=C1 AC7156 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.35 NC1=NN=C(C(=O)O)O1 D74010 [0,0,0,0,0,0|2,0,1]=3 30 B9R1.35 NC1=NN=C(C(=O)O)S1 AT19542 [0,0,0,0,0,0|2,0,1]=3 31 B9R1.35 NC1=NN=C(C(=O)[O-])O1 AT24496 [0,0,0,0,0,0|2,0,2]=4 32 B9R1.35 NC1=NOC(C(=O)O)=C1 D78674 [0,0,0,0,0,0|2,0,1]=3 33 B9R1.35 O=C(O)C1=CC(O)=CS1 AT16393 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.35 O=C(O)C1=CC=C(Br)N1 O11354 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.35 O=C(O)C1=CC=C(Cl)N1 AT16176 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.35 O=C(O)C1=CN=C(Cl)N1 AT15386 [0,0,0,0,0,0|3,0,1]=4 37 B9R1.35 O=C(O)C1=CN=C(I)O1 C91097 [0,0,0,0,0,0|3,0,1]=4 38 B9R1.35 O=C(O)C1=CSC(S)=N1 AT14870 [0,0,0,0,0,0|4,0,0]=4 39 B9R1.35 O=C(O)C1=NC(Br)=NO1 D78703 [0,0,0,0,0,0|3,0,1]=4 40 B9R1.35 O=C(O)C1=NC(Cl)=CS1 AT14689 [0,0,0,0,0,0|4,0,0]=4 41 B9R1.35 O=C([O-])C1=NC=C(Br)S1 AT14693 [0,0,0,0,0,0|3,0,1]=4 42 B9R1.35 O=C1C[C@H](C(=O)O)CN1 P15832 [0,0,0,0,0,0|2,0,2]=4 43 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 W19722 [0,0,0,0,0,0|3,0,1]=4 44 B8R1.1 CC1=CC(CCl)=NN1 AT15945 [1,0,0,0,0,0|1,0,1]=3 45 B8R1.1 CC1=CC(CO)=CO1 AT17479 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.1 CC1=CC(CO)=CS1 AT16765 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.1 CC1=CC(CO)=NN1 O10131 [1,0,0,0,0,0|0,0,1]=2 48 B8R1.1 CC1=CC(CO)=NS1 AT21126 [1,0,0,0,0,0|1,0,1]=3 49 B8R1.1 CC1=CN=C(C=O)O1 AT17128 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.1 CC1=CN=C(CO)N1 P12877 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.1 CC1=CN=C(CO)O1 AT18512 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.1 CC1=COC(CO)=C1 AT17124 [1,0,0,0,0,0|2,0,1]=4 53 B8R1.1 CC1=NNC(C=O)=C1 79805 [1,0,0,0,0,0|0,0,2]=3 54 B8R1.1 CC1=NSC(C=O)=C1 C16590 [1,0,0,0,0,0|1,0,1]=3 55 B8R1.1 CN1C=C(C=O)N=N1 C77602 [1,0,0,0,0,0|1,0,1]=3 56 B8R1.1 CNC1=NNC(Br)=C1 57327 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.1 CNC1=NNC(C)=C1 57298 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.1 CNC1=NOC(C)=C1 AT19802 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.1 COC1=NNC(Br)=C1 P13052 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.1 COC1=NNC(C)=C1 E71889 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.1 O=CC1=CC(Cl)=CO1 50491 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.1 O=CC1=CC(Cl)=CS1 P11080 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.1 O=CC1=COC(Br)=C1 AT17110 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.1 O=CC1=NC=C(I)S1 S10281 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.1 O=CC1=NNC(Br)=C1 F13791 [1,0,0,0,0,0|1,0,0]=2 66 B8R1.1 OCC1=NNC(O)=C1 C90528 [1,0,0,0,0,0|1,0,1]=3 67 B8R1.7 CC(=O)C1=COC=N1 AT18593 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.7 CC(=O)C1=NNC=N1 AT12117 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.7 C[C@H](N)C1=NNC=C1 32104 [1,0,0,0,0,0|2,0,1]=4 70 B8R1.7 C[C@H](O)C1=NNC=C1 AT15830 [1,0,0,0,0,0|1,0,1]=3 71 B8R1.7 C[C@H](O)C1=NNC=C1 AT15831 [1,0,0,0,0,0|1,0,1]=3 72 B8R1.7 C[C@H](O)C1=NNC=C1 AT15832 [1,0,0,0,0,0|1,0,1]=3 73 B8R1.7 NC(=O)C1=NOC=C1 AT19826 [1,0,0,0,0,0|2,0,0]=3 74 B8R1.7 O=C(Cl)C1=COC=N1 D78648 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.7 O=C(Cl)C1=NON=C1 F10297 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.7 O=C(O)[C@@H]1C=CCN1 F10849 [1,0,0,0,0,0|1,0,2]=4 77 B8R1.7 O=C([O-])C1=NC=CO1 AT18513 [1,0,0,0,0,0|2,0,1]=4 78 B8R1.7 O=[S@](O)C1=CC=CS1 AT16558 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.7 OB(O)C1=CNC=C1 AC8593 [1,0,0,0,0,0|2,0,1]=4 80 B10R1.14 CC1=CC=C(C(=O)CO)O1 AC5801 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.14 CC1=CC=C(C(=O)CO)S1 AC3828 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.14 COC(=O)C1=CC(N)=NO1 D78675 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.14 COC(=O)C1=CNC(=S)N1 S11050 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.14 COC(=O)C1=CNC(C)=C1 AT21660 [0,1,0,0,0,0|1,0,0]=2 85 B10R1.14 COC(=O)C1=CNC(Cl)=C1 AC6843 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.14 COC(=O)C1=CSC(I)=C1 74713 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.14 COC(=O)C1=NSC(N)=N1 AT11908 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.31 CCC1=CC=C(C(=O)O)O1 AT17158 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.31 CCC1=CSC(C(=O)O)=N1 C71580 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.31 CCC1=NN=C(C(=O)O)N1 AT21356 [0,1,0,0,0,0|1,0,1]=3 91 B10R1.31 CCC1=NNC(C(=O)O)=C1 W16046 [0,1,0,0,0,0|0,0,2]=3 92 B10R1.31 CCN1C=NC(C(=O)O)=C1 79486 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.31 CNC1=NC=C(C(=O)O)O1 AT18685 [0,1,0,0,0,0|2,0,1]=4 94 B10R1.31 COC1=CC=C(C(=O)O)O1 AT17094 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.31 COC1=NC(C(=O)O)=CO1 AT18455 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.31 COC1=NOC(C(N)=O)=C1 W11044 [0,1,0,0,0,0|2,0,1]=4 97 B10R1.31 CSC1=CC(C(=O)O)=CO1 AT17277 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.31 CSC1=CC=C(C(=O)O)O1 AT17280 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.31 NCC1=CC=C(C(=O)O)O1 AT17184 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.31 NCC1=CC=C(C(=O)O)S1 AT24853 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.31 O=C(O)C1=COC(CBr)=N1 AT18565 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.31 O=C(O)C1=COC(CO)=C1 AT17501 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.31 O=CC1=CC(C(=O)O)=CS1 AT16777 [0,1,0,0,0,0|2,0,1]=4 104 B10R1.31 O=CC1=CNC(C(=O)O)=C1 I11670 [0,1,0,0,0,0|1,0,2]=4 105 B10R1.31 O=CC1=CSC(C(=O)O)=C1 AT16396 [0,1,0,0,0,0|2,0,1]=4 106 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 W10228 [0,1,0,0,0,0|2,0,0]=3 107 B10R1.58 CC1=C(Cl)N=C(C(=O)O)N1 96260 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.58 CC1=NC(C(=O)O)=CN1C AC8449 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.58 CN1C=C(C(=O)O)C=C1Br C91432 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.58 CN1N=C(C(=O)O)C=C1N AT14203 [0,1,0,0,0,0|1,0,0]=2 111 B10R1.58 CN1N=C(C(=O)O)N=C1Cl AT12337 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 27225 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.58 O=C(O)C1=NC(Br)=C(Br)N1 96278 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.58 O=C(O)C1=NC(I)=C(I)N1 96280 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.59 CC1=CC(C(=O)O)=C(Br)S1 92997 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.59 CC1=CC(C)=C(C(=O)O)O1 AT17163 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.59 CC1=CC(C)=C(C(=O)O)S1 AT16400 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.59 CC1=CN(C)C=C1C(=O)O AT10393 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.59 CC1=NC(C(=O)O)=C(Br)O1 27242 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.59 CC1=NC(C(=O)O)=C(C)N1 AT15391 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.59 CC1=NC(C(=O)O)=C(C)S1 AT21448 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.194 CC1=C(Br)C(C(=O)O)=NO1 AT19732 [0,1,0,0,0,0|1,0,0]=2 123 B10R1.194 CC1=C(C)C(C(=O)O)=NN1 O11128 [0,1,0,0,0,0|0,0,0]=1 124 B10R1.194 CC1=C(Cl)C([N+](=O)[O-])=NN1 I11025 [0,1,0,0,0,0|1,0,1]=3 125 B10R1.194 CC1=COC(C(=O)O)=C1C AT17164 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.194 CC1=CSC(C(=O)O)=C1Br AT11772 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.194 CC1=NN=C(C(=O)[O-])N1C AT21351 [0,1,0,0,0,0|1,0,2]=4 128 B10R1.194 CN1C(F)=CN=C1C(=O)O 50288 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.194 CN1N=CC(C(=O)O)=C1O AT14052 [0,1,0,0,0,0|2,0,1]=4 130 B10R1.194 NC1=C(C(=O)O)SC=C1Br N16943 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O P18148 [0,0,0,0,1,0|1,0,2]=4 132 B10R1.13 CC(=O)C1=CN=C(C)N=C1 32219 [0,0,0,0,0,1|2,0,1]=4 133 B10R1.13 CC(=O)C1=NN=C(C)C=C1 P12332 [0,0,0,0,0,1|1,0,1]=3 134 B10R1.13 CC1=CN=C(B(O)O)C=C1 F10369 [0,0,0,0,0,1|2,0,1]=4 135 B10R1.13 CC1=CN=C(B([O-])O)C=C1 AT15741 [0,0,0,0,0,1|2,0,1]=4 136 B10R1.13 CC1=CN=C(C(=N)N)C=C1 W19131 [0,0,0,0,0,1|3,0,0]=4 137 B10R1.13 CC1=NC=C(C(=O)Cl)C=C1 C90488 [0,0,0,0,0,1|2,0,1]=4 138 B10R1.13 CC1=NC=C(C(N)=O)C=N1 81927 [0,0,0,0,0,1|2,0,1]=4 139 B10R1.13 NC(=O)C1=CN=C(Br)C=N1 N13142 [0,0,0,0,0,1|3,0,0]=4 140 B10R1.13 NC(=O)C1=NN=C(Br)C=C1 D76262 [0,0,0,0,0,1|2,0,1]=4 141 B10R1.13 NC(=O)C1=NNC(=O)C=C1 AC6451 [0,0,0,0,0,1|2,0,0]=3 142 B10R1.13 O=C(O)C1=CN=C(S)N=C1 AT18396 [0,0,0,0,0,1|2,0,1]=4 143 B10R1.54 CC1=CC(CC(=O)O)=NN1 AT15993 [0,0,0,0,0,1|0,0,0]=1 144 B10R1.54 CC1=CC(CC(=O)O)=NO1 72026 [0,0,0,0,0,1|1,0,0]=2 145 B10R1.54 CC1=CC(NC(=N)N)=NN1 W15808 [0,0,0,0,0,1|2,0,0]=3 146 B10R1.54 CC1=CSC(CC(=O)O)=N1 F13736 [0,0,0,0,0,1|3,0,0]=4 147 B10R1.54 CC1=NC=C(CC(=O)O)S1 W18595 [0,0,0,0,0,1|2,0,1]=4 148 B10R1.54 CC1=NN=C(CC(=O)[O-])S1 AT23469 [0,0,0,0,0,1|1,0,2]=4 149 B10R1.54 CN1N=NC(CC(=O)O)=N1 AC5610 [0,0,0,0,0,1|2,0,1]=4 150 B10R1.54 NC1=CC(CC(=O)O)=NN1 CS1431 [0,0,0,0,0,1|1,0,0]=2 151 B10R1.113 CC(=O)C1=CC(=O)NC=C1 90624 [0,0,0,0,0,1|3,0,0]=4 152 B10R1.113 CC(=O)C1=CC(Cl)=NC=N1 91059 [0,0,0,0,0,1|2,0,1]=4 153 B10R1.113 CC(=O)C1=CN=NC(C)=C1 E71800 [0,0,0,0,0,1|1,0,1]=3 154 B10R1.113 CC1=CC(B(O)O)=NC=C1 83427 [0,0,0,0,0,1|2,0,1]=4 155 B10R1.113 NC1=CC=NC(C(=O)O)=N1 AT18255 [0,0,0,0,0,1|3,0,0]=4 156 B10R1.113 O=C(Cl)C1=NC=CC(Cl)=C1 D84548 [0,0,0,0,0,1|3,0,0]=4 157 B10R1.113 O=C(O)C1=NC=CC(O)=C1 AC3399 [0,0,0,0,0,1|2,0,0]=3 158 B7R1.1 O=CC1=CSN=N1 A51062 [2,0,0,0,0,0|1,0,1]=4 159 B7R1.1 O=CC1=NNN=N1 D78686 [2,0,0,0,0,0|2,0,0]=4 160 B7R1.1 OCC1=NNN=C1 D78628 [2,0,0,0,0,0|1,0,1]=4 161 B7R1.2 CC1=CC(N)=NS1 A51223 [2,0,0,0,0,0|2,0,0]=4 162 B7R1.2 CC1=NC(Br)=NN1 98648 [2,0,0,0,0,0|2,0,0]=4 163 B7R1.2 CC1=NC(Cl)=NN1 AT12255 [2,0,0,0,0,0|2,0,0]=4 164 B7R1.2 NC1=CC(N)=NN1 F17293 [2,0,0,0,0,0|2,0,0]=4 165 B7R1.2 O=C1C=C(O)CN1 F14818 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.7 CC1=CC(CON)=NO1 D74102 [1,1,0,0,0,0|1,0,1]=4 167 B9R1.7 COCC1=NNC(C)=N1 AT21386 [1,1,0,0,0,0|1,0,1]=4 168 B9R1.21 CCC1=NN=C(C=O)S1 AT18981 [1,1,0,0,0,0|1,0,1]=4 169 B9R1.21 COC1=NSC(C=O)=C1 AT11785 [1,1,0,0,0,0|1,0,1]=4 170 B9R1.21 NCC1=NNC(CO)=C1 AT15833 [1,1,0,0,0,0|1,0,1]=4 171 B9R1.21 O=CC1=CC(CCl)=CS1 AT17066 [1,1,0,0,0,0|2,0,0]=4 172 B9R1.22 CC1=CC(C=O)=C(C)O1 AT17481 [1,1,0,0,0,0|2,0,0]=4 173 B9R1.23 CC1=C(C)OC(C=O)=C1 F30227 [1,1,0,0,0,0|2,0,0]=4 174 B9R1.23 CC1=C(C)OC(C=O)=N1 AT18582 [1,1,0,0,0,0|2,0,0]=4 175 B9R1.23 CN1N=C(CO)C=C1N AT14216 [1,1,0,0,0,0|1,0,1]=4 176 B9R1.132 CC1=C(C)C(C=O)=CS1 AT17088 [1,1,0,0,0,0|2,0,0]=4 177 B9R1.132 CC1=C(C)C(C=O)=NN1 AT15956 [1,1,0,0,0,0|0,0,0]=2 178 B9R1.132 CC1=C(F)C(CO)=NN1 W13838 [1,1,0,0,0,0|0,0,1]=3 179 B9R1.132 CC1=C(F)C(CO)=NN1 W16426 [1,1,0,0,0,0|0,0,1]=3 180 B9R1.132 CC1=CN=C(C=O)N1C AT15705 [1,1,0,0,0,0|2,0,0]=4 181 B9R1.132 CC1=NN=C(C=O)N1C AT12570 [1,1,0,0,0,0|1,0,1]=4 182 B9R1.11 COC(=O)C1=NOC=C1 AT19828 [1,1,0,0,0,0|1,0,0]=3 183 B9R1.11 COC(=O)C1=NSC=C1 AT21127 [1,1,0,0,0,0|1,0,0]=3 184 B9R1.11 O=C(CCl)C1=NOC=C1 AT19853 [1,1,0,0,0,0|2,0,0]=4 185 B9R1.11 O=C(CO)C1=CC=CS1 AC7083 [1,1,0,0,0,0|2,0,0]=4 186 B9R1.41 CC1=C(C(=O)O)N=NN1 C16625 [1,1,0,0,0,0|1,0,1]=4 187 B9R1.41 CC1=C(C(=O)O)SN=C1 AT21154 [1,1,0,0,0,0|1,0,1]=4 188 B9R1.41 CC1=CNC=C1C(=O)O 71038 [1,1,0,0,0,0|1,0,0]=3 189 B9R1.41 CC1=COC=C1C(=O)O 72440 [1,1,0,0,0,0|2,0,0]=4 190 B9R1.41 CC1=CON=C1C(N)=O 95085 [1,1,0,0,0,0|2,0,0]=4 191 B9R1.41 NC(=O)C1=NSC=C1Br D80071 [1,1,0,0,0,0|2,0,0]=4 192 B9R1.41 NC1=C(C(=O)O)N=CN1 C90485 [1,1,0,0,0,0|2,0,0]=4 193 B9R1.41 NC1=CSN=C1C(=O)O AT21158 [1,1,0,0,0,0|1,0,0]=3 194 B9R1.41 O=C(O)C1=C(Br)OC=C1 AT17113 [1,1,0,0,0,0|2,0,0]=4 195 B9R1.41 O=C(O)C1=C(F)NN=C1 C92334 [1,1,0,0,0,0|2,0,0]=4 196 B9R1.41 O=C(O)C1=CNC=C1Br AT16233 [1,1,0,0,0,0|1,0,0]=3 197 B9R1.41 O=C(O)C1=CNN=C1I E72213 [1,1,0,0,0,0|2,0,0]=4 198 B9R1.41 O=C(O)C1=CSC=C1Cl AT14983 [1,1,0,0,0,0|2,0,0]=4 199 B9R1.41 O=C(O)C1=NSC=C1I AT21161 [1,1,0,0,0,0|1,0,0]=3 200 B9R1.41 O=C(O)C1=NSN=C1Cl D76149 [1,1,0,0,0,0|2,0,0]=4 201 B9R1.41 O=[N+]([O-])C1=NNC=C1Cl F53530 [1,1,0,0,0,0|1,0,1]=4 202 B11R1.3 CNC1=CN=C(C(=O)O)C=C1 AT13629 [0,1,0,0,0,1|1,0,0]=3 203 B11R1.3 CNC1=NN=C(C(=O)O)C=C1 AC2109 [0,1,0,0,0,1|0,0,1]=3 204 B11R1.3 COC1=CN=C(C(C)=O)C=C1 P10973 [0,1,0,0,0,1|2,0,0]=4 205 B11R1.3 COC1=CN=C(C(N)=O)C=C1 D74451 [0,1,0,0,0,1|2,0,0]=4 206 B11R1.3 O=CC1=CN=C(C(=O)O)C=C1 N13056 [0,1,0,0,0,1|1,0,1]=4 207 B11R1.21 CC1=C(O)C=CC(C(=O)O)=N1 E71908 [0,1,0,0,0,1|2,0,0]=4 208 B11R1.21 CC1=NC(C(=O)O)=CNC1=O 57159 [0,1,0,0,0,1|2,0,0]=4 209 B11R1.21 NC1=C(Cl)C=NC(C(=O)O)=C1 AT24933 [0,1,0,0,0,1|2,0,0]=4 210 B11R1.21 NC1=NC=C(C(=O)O)N=C1I P13455 [0,1,0,0,0,1|2,0,0]=4 211 B11R1.21 O=C(O)C1=NC(O)=C(F)C=C1 F51217 [0,1,0,0,0,1|2,0,0]=4 212 B11R1.22 CC1=CC=C(C(=O)CO)C=C1 AC6089 [0,1,0,0,0,1|2,0,0]=4 213 B11R1.22 CC1=CN=C(C(=O)CBr)N=C1 F50744 [0,1,0,0,0,1|2,0,0]=4 214 B11R1.22 CC1=CN=C(\C(C)=N\O)C=C1 AB10298 [0,1,0,0,0,1|2,0,0]=4 215 B11R1.22 COC(=O)C1=CN=C(C)N=C1 P11085 [0,1,0,0,0,1|1,0,1]=4 216 B11R1.166 CC1=CC(F)=C(C(=O)O)C=N1 N17088 [0,1,0,0,0,1|1,0,1]=4 217 B11R1.166 CC1=CC(F)=CN=C1C(=O)O 55148 [0,1,0,0,0,1|2,0,0]=4 218 B11R1.166 CC1=CC(N)=C(C(=O)O)C=N1 25712 [0,1,0,0,0,1|1,0,1]=4 219 B11R1.166 CC1=CC=C(C(=O)O)C(Br)=N1 N12689 [0,1,0,0,0,1|1,0,1]=4 220 B11R1.166 CC1=CN=C(C(=O)O)C(N)=N1 70364 [0,1,0,0,0,1|1,0,0]=3 221 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O 37099 [0,1,0,0,0,1|2,0,0]=4 222 B11R1.166 NC1=CC(Cl)=C(C(=O)O)N=C1 BL010122 [0,1,0,0,0,1|2,0,0]=4 223 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=N1 BL010139 [0,1,0,0,0,1|2,0,0]=4 224 B11R1.166 O=C(O)C1=NN=C(O)C=C1O W15300 [0,1,0,0,0,1|1,0,1]=4 225 B11R1.43 COC1=NOC(CC(=O)O)=C1 AT19605 [0,1,0,0,0,1|1,0,1]=4 226 B11R1.23 CC1=CC(\C(C)=N\O)=NC=C1 D87307 [0,1,0,0,0,1|2,0,0]=4 227 B11R1.23 CC1=CC=CC(C(=O)CO)=C1 AC3231 [0,1,0,0,0,1|2,0,0]=4 228 B11R1.23 COC(=O)C1=CC(I)=NN=C1 C92378 [0,1,0,0,0,1|1,0,1]=4 229 B11R1.23 COC(=O)C1=NC=CC(O)=C1 AC3417 [0,1,0,0,0,1|2,0,0]=4 230 B11R1.74 CC1=CC(Br)=NC(C(=O)O)=C1 H11547 [0,1,0,0,0,1|1,0,0]=3 231 B11R1.74 CC1=CC(C(=O)O)=CC(N)=N1 39217 [0,1,0,0,0,1|1,0,1]=4 232 B11R1.74 CC1=NC(O)=CC(C(=O)O)=N1 W10241 [0,1,0,0,0,1|1,0,1]=4 233 B11R1.74 NC1=CC(C(=O)O)=NC(N)=N1 D76795 [0,1,0,0,0,1|1,0,1]=4 234 B11R1.159 CC1=C(O)C=CN=C1C(=O)O C11063 [0,1,0,0,0,1|2,0,0]=4 235 B11R1.159 CC1=C(O)N=CN=C1C(=O)O F52192 [0,1,0,0,0,1|1,0,1]=4 236 B11R1.159 CC1=CN=CC(C(=O)O)=C1O AT13143 [0,1,0,0,0,1|1,0,0]=3 237 B11R1.159 CC1=NC=CC(C(=O)O)=C1C D87767 [0,1,0,0,0,1|1,0,1]=4 238 B11R1.159 CN1C=NC=C(C(=O)O)C1=O AT13877 [0,1,0,0,0,1|2,0,0]=4 239 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=NC=N1 C16696 [0,1,0,0,0,1|1,0,1]=4 240 B11R1.167 CC(=O)C1=CC(C)=CN=C1F N13305 [0,1,0,0,0,1|2,0,0]=4 241 B11R1.167 CC1=CN=C(Br)C(C(=O)O)=C1 C16185 [0,1,0,0,0,1|1,0,0]=3 242 B11R1.167 O=C(O)C1=CC(I)=CN=C1F 98093 [0,1,0,0,0,1|2,0,0]=4 243 B11R1.266 CCC1=NC=CC(C(=O)O)=C1 AC8491 [0,1,0,0,0,1|1,0,1]=4 244 B11R1.266 CNC1=NC=CC(C(=O)O)=C1 AT13630 [0,1,0,0,0,1|1,0,1]=4 245 B11R1.266 COC1=CC=NC(C(=O)O)=N1 F10461 [0,1,0,0,0,1|2,0,0]=4 246 B11R1.266 NCC1=NC=CC(C(=O)O)=C1 AT13155 [0,1,0,0,0,1|1,0,1]=4 247 B11R1.266 O=CC1=CC(C(=O)O)=CN=C1 AT13148 [0,1,0,0,0,1|1,0,1]=4 248 B11R1.15 CCOC(=O)C1=CC(C)=NO1 26405 [0,2,0,0,0,0|1,0,1]=4 249 B11R1.15 CCOC(=O)C1=CN(C)N=N1 C91528 [0,2,0,0,0,0|1,0,1]=4 250 B11R1.15 CCOC(=O)C1=NOC(Cl)=C1 AT22370 [0,2,0,0,0,0|2,0,0]=4 251 B11R1.15 CCOC(=O)C1=NSC(Br)=C1 AT25966 [0,2,0,0,0,0|2,0,0]=4 252 B11R1.44 COC(=O)C1=CC(CBr)=CS1 C15971 [0,2,0,0,0,0|2,0,0]=4 253 B11R1.44 COC(=O)C1=CNC(C=O)=C1 D85282 [0,2,0,0,0,0|1,0,1]=4 254 B11R1.44 COC(=O)C1=COC(CCl)=C1 AT17456 [0,2,0,0,0,0|2,0,0]=4 255 B11R1.44 COC(=O)C1=NOC(CBr)=C1 C16808 [0,2,0,0,0,0|1,0,0]=3 256 B11R1.44 COC(=O)C1=NOC(CN)=C1 AT24046 [0,2,0,0,0,0|1,0,0]=3 257 B11R1.225 CC1=CC(C(=O)CO)=C(C)S1 AC4311 [0,2,0,0,0,0|2,0,0]=4 258 B11R1.226 COC(=O)C1=CC(C)=C(C)N1 F30543 [0,2,0,0,0,0|1,0,1]=4 259 B11R1.226 COC(=O)C1=CN(C)C(Br)=C1 C91431 [0,2,0,0,0,0|2,0,0]=4 260 B11R1.226 COC(=O)C1=CN(C)C(Br)=N1 F53689 [0,2,0,0,0,0|2,0,0]=4 261 B11R1.226 COC(=O)C1=NN(C)C(Br)=N1 AT12339 [0,2,0,0,0,0|2,0,0]=4 262 B11R1.865 COC(=O)C1=C(C)C(C)=CN1 O11895 [0,2,0,0,0,0|1,0,1]=4 263 B11R1.865 COC(=O)C1=NOC(C)=C1I AT24844 [0,2,0,0,0,0|1,0,0]=3 264 B11R1.48 CC1=CC([N+](=O)[O-])=NN1CCl W18920 [0,2,0,0,0,0|1,0,1]=4 265 B11R1.48 CCC1=C(Br)N=C(C(=O)O)N1 96266 [0,2,0,0,0,0|2,0,0]=4 266 B11R1.48 CCC1=C(Cl)N=C(C(=O)O)N1 96256 [0,2,0,0,0,0|2,0,0]=4 267 B11R1.48 CN1N=C([N+](=O)[O-])C=C1CO F50020 [0,2,0,0,0,0|1,0,1]=4 268 B11R1.50 CSC1=CC(C(=O)O)=C(C)O1 AT17304 [0,2,0,0,0,0|2,0,0]=4 269 B11R1.175 CC(=O)C1=NNC([N+](=O)[O-])=C1 P19840 [0,2,0,0,0,0|2,0,0]=4 270 B11R1.175 CC(C)C1=NN=C(C(=O)O)S1 AT19544 [0,2,0,0,0,0|1,0,1]=4 271 B11R1.175 CC(C)C1=NN=C(C(=O)O)S1 AT19545 [0,2,0,0,0,0|1,0,1]=4 272 B11R1.175 CC(C)N1C=C(C(=O)O)N=N1 E72181 [0,2,0,0,0,0|1,0,1]=4 273 B11R1.175 CC(C)N1C=NC(C(=O)O)=C1 AC8859 [0,2,0,0,0,0|2,0,0]=4 274 B11R1.175 CN(C)C1=NC(C(=O)O)=NO1 94073 [0,2,0,0,0,0|2,0,0]=4 275 B11R1.175 O=C(O)C1=CN(C(F)F)C=N1 AT12589 [0,2,0,0,0,0|2,0,0]=4 276 B11R1.175 O=C(O)C1=COC(C(F)F)=C1 AT17243 [0,2,0,0,0,0|2,0,0]=4 277 B11R1.473 CCC1=C(I)C(C(=O)O)=NN1 E71639 [0,2,0,0,0,0|0,0,0]=2 278 B11R1.473 CCC1=NNC(C(=O)O)=C1Cl W19700 [0,2,0,0,0,0|0,0,2]=4 279 B11R1.473 COC1=NOC(C(=O)O)=C1C P16882 [0,2,0,0,0,0|1,0,1]=4 280 B11R1.672 CC(=O)C1=NN(C)C(C)=C1Br F16008 [0,2,0,0,0,0|1,0,0]=3 281 B11R1.672 CC1=C(Cl)C(C(=O)O)=NN1C F53504 [0,2,0,0,0,0|0,0,0]=2 282 B11R1.673 CC1=C(Br)C(C(=O)O)=C(C)O1 D86964 [0,2,0,0,0,0|2,0,0]=4 283 B11R1.673 CC1=C(C)C(C(=O)O)=C(C)O1 AT17504 [0,2,0,0,0,0|2,0,0]=4 284 B9R1.6 O=C(O)C1=CCCNC1 C10916 [0,0,1,1,0,0|1,0,1]=4 285 B9R1.6 O=C(O)C1=CCCNC1 F13202 [0,0,1,1,0,0|1,0,1]=4 286 B7R0.16 CC(C)=C(Cl)C(=O)O A50965 [0,0,1,0,1,0|2,0,0]=4 287 B9R1.2 CC1=CC(C=O)=NC=N1 AT18315 [1,0,0,0,0,1|0,0,1]=3 288 B9R1.2 O=CC1=CC(I)=CN=C1 H10413 [1,0,0,0,0,1|2,0,0]=4 289 B9R1.13 O=C(O)CC1=CC=NN1 79593 [1,0,0,0,0,1|0,0,2]=4 290 B9R1.13 O=C(O)CC1=CNN=C1 AT16113 [1,0,0,0,0,1|2,0,0]=4 291 B9R1.13 O=C(O)CC1=CSC=N1 AC3265 [1,0,0,0,0,1|2,0,0]=4 292 B11R1.20 CC1=CN=C(CC(=O)[O-])C=C1 R10046 [0,0,0,0,0,2|1,0,1]=4 293 B11R1.20 CC1=CN=C(CC(=O)[O-])C=N1 C91526 [0,0,0,0,0,2|1,0,1]=4 294 B11R1.75 CC1=CN(CCC(=O)O)N=C1 F16132 [0,0,0,0,0,2|2,0,0]=4 295 B11R1.75 O=C(O)CCC1=NNC(Br)=N1 AT12531 [0,0,0,0,0,2|2,0,0]=4 296 B11R1.75 O=C(O)CSC1=NNC(=O)N1 AT21315 [0,0,0,0,0,2|2,0,0]=4 297 B11R1.157 CC(=O)NC1=NN=CC(C)=C1 AC7585 [0,0,0,0,0,2|1,0,1]=4 298 B11R1.157 CC1=CC(CC(=O)O)=NC=N1 C91524 [0,0,0,0,0,2|0,0,1]=3 299 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 AT23257 [0,0,0,0,0,2|2,0,0]=4